Pastore M - Search Results

1

Synthesis and Computational Study of a Pyridylcarbene Fe(II) Complex: Unexpected Effects of fac/ mer Isomerism in Metal-to-Ligand Triplet Potential Energy Surfaces.

Francés-Monerris A, Magra K, Darari M, Cebrián C, Beley M, Domenichini E, Haacke S, Pastore M, Assfeld X, Gros PC, Monari A. Francés-Monerris A, et al. Among authors: pastore m. Inorg Chem. 2018 Aug 20;57(16):10431-10441. doi: 10.1021/acs.inorgchem.8b01695. Epub 2018 Jul 31. Inorg Chem. 2018. PMID: 30063338

2

Mixed valence character of anionic linear beryllium chains: a CAS-SCF and MR-CI study.

Pastore M, Monari A, Evangelisti S, Leininger T. Pastore M, et al. J Phys Chem A. 2009 Dec 31;113(52):14706-10. doi: 10.1021/jp904799z. J Phys Chem A. 2009. PMID: 19821600

3

Interfacial charge separation and photovoltaic efficiency in Fe(ii)-carbene sensitized solar cells.

Pastore M, Duchanois T, Liu L, Monari A, Assfeld X, Haacke S, Gros PC. Pastore M, et al. Phys Chem Chem Phys. 2016 Oct 12;18(40):28069-28081. doi: 10.1039/c6cp05535d. Phys Chem Chem Phys. 2016. PMID: 27711638

4

Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory.

Pastore M, Assfeld X, Mosconi E, Monari A, Etienne T. Pastore M, et al. J Chem Phys. 2017 Jul 14;147(2):024108. doi: 10.1063/1.4991561. J Chem Phys. 2017. PMID: 28711042

5

From Physical Mixtures to Co-Crystals: How the Coformers Can Modify Solubility and Biological Activity of Carbamazepine.

Dalpiaz A, Ferretti V, Bertolasi V, Pavan B, Monari A, Pastore M. Dalpiaz A, et al. Among authors: pastore m. Mol Pharm. 2018 Jan 2;15(1):268-278. doi: 10.1021/acs.molpharmaceut.7b00899. Epub 2017 Dec 6. Mol Pharm. 2018. PMID: 29164899

6

Impact of the fac/ mer Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes.

Magra K, Domenichini E, Francés-Monerris A, Cebrián C, Beley M, Darari M, Pastore M, Monari A, Assfeld X, Haacke S, Gros PC. Magra K, et al. Among authors: pastore m. Inorg Chem. 2019 Apr 15;58(8):5069-5081. doi: 10.1021/acs.inorgchem.9b00138. Epub 2019 Apr 5. Inorg Chem. 2019. PMID: 30950264

7

Iron(ii) complexes with diazinyl-NHC ligands: impact of π-deficiency of the azine core on photophysical properties.

Darari M, Domenichini E, Francés-Monerris A, Cebrián C, Magra K, Beley M, Pastore M, Monari A, Assfeld X, Haacke S, Gros PC. Darari M, et al. Among authors: pastore m. Dalton Trans. 2019 Aug 7;48(29):10915-10926. doi: 10.1039/c9dt01731c. Epub 2019 May 31. Dalton Trans. 2019. PMID: 31149683

8

Electronic structure and optical properties of isolated and TiO₂ -grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD-DFT.

Daoudi S, Semmeq A, Badawi M, Assfeld X, Arfaoui Y, Pastore M. Daoudi S, et al. Among authors: pastore m. J Comput Chem. 2019 Nov 5;40(29):2530-2538. doi: 10.1002/jcc.26027. Epub 2019 Jul 11. J Comput Chem. 2019. PMID: 31294857

9

Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex.

Diez-Cabanes V, Prampolini G, Francés-Monerris A, Monari A, Pastore M. Diez-Cabanes V, et al. Among authors: pastore m. Molecules. 2020 Jul 6;25(13):3084. doi: 10.3390/molecules25133084. Molecules. 2020. PMID: 32640764 Free PMC article.

10

Competition between the Photothermal Effect and Emission in Potential Phototherapy Agents.

Diez-Cabanes V, Monari A, Pastore M. Diez-Cabanes V, et al. Among authors: pastore m. J Phys Chem B. 2021 Aug 12;125(31):8733-8741. doi: 10.1021/acs.jpcb.1c03977. Epub 2021 Jul 29. J Phys Chem B. 2021. PMID: 34323496

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